Molecule card · MolClass #42036

24818382

24818382: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 24818382Mitochondrial Fusion · compound_name
MolClass ID: 42036
InChIKey: LUOWYNSRDKTBKK-UHFFFAOYSA-N
Canonical SMILES: COC(=O)c1ccccc1Sc2c(C)nns2
Standard InChI: InChI=1S/C11H10N2O2S2/c1-7-11(17-13-12-7)16-9-6-4-3-5-8(9)10(14)15-2/h3-6H,1-2H3
Stored Murcko scaffold: n1ncc(s1)Sc2ccccc2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

24822056#37199
24817121#40856
17409473#46188
24817466#49217

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 105.62 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 266.342 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.717; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24818382